SCHEMBL4359878

SCHEMBL4359878

c1ccc(-c2cc(-c3ccsc3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.51
CCR5 P51681 3/20 0.51
CCR8 P51685 3/20 0.51
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 3/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CYP1A2 P05177 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4951059 0.84 KDM4E (0.70) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL597347 0.82 KDM4E (0.52) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29723603 0.82 KDM4E (0.52) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12925673 0.82 KDM4E (0.67) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL3257828 0.81 CYP2A6 (0.55) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12925692 0.80 KDM4E (0.78) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14297308 0.80 KDM4E (0.78) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.80 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL16451455 0.80 KDM4E (0.78) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10031167 0.80 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed